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Plane-waves DFT-LDA calculation of the electronic structure and absorption spectrum of Copper
Andrea Marini, Giovanni Onida, Rodolfo Del Sole
We present an accurate, first-principles study of the electronic structure and absorption spectrum of bulk copper within Density Functional Theory in the Local Density Approximatio…
Reflectivity Anisotropy Spectra of Cu- and Ag- (110) surfaces from {\it ab initio} theory
Patrizia Monachesi, Maurizia Palummo, Rodolfo Del Sole +2
We are able to disentagle the effects of the intraband and interband parts of the bulk dielectric function on the bare dielectric anisotropy of the surface. We show how the positio…
Ab initio optical properties of Si(100)
Maurizia Palummo, Giovanni Onida, Rodolfo Del Sole +1
We compute the linear optical properties of different reconstructions of the clean and hydrogenated Si(100) surface within DFT-LDA, using norm-conserving pseudopotentials. The equi…